SCHEMBL1177653

SCHEMBL1177653

CCCC(CCC)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
HBB P68871 2/20 0.72
MAPK1 P28482 1/20 0.72
PNP P00491 7/20 0.66
BLM P54132 2/20 0.66
TSHR P16473 2/20 0.66
USP2 O75604 1/20 0.66
EDNRA P25101 1/20 0.66
HTR2A P28223 1/20 0.66
RECQL P46063 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLG P54098 1/20 0.61
HPRT1 P00492 6/20 0.60
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
VCP P55072 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8445568 0.85 MEN1 (0.73) MEN1KMT2AHBBMAPK1PNP
SCHEMBL7814355 0.85 MEN1 (0.76) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL8444387 0.85 MEN1 (1.00) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL28644 0.85 MEN1 (1.00) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL4656778 0.85 MEN1 (1.00) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL13575743 0.85 MEN1 (1.00) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1177556 0.85 MEN1 (0.66) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL40830 0.84 HBB (1.00) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL8320611 0.84 HBB (1.00) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL5724652 0.84 MEN1 (0.98) MEN1KMT2AHBBMAPK1PNP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142548-B1 ACYLATED DERIVATIVE OF THE PURINIC ANTIVIRAL AGENT ACICLOVIR AND USE THEREOF AS A POTENT ANTICANCER AGENT UNIV RAMOT (IL) 2016-05-25 EP disclosed
US-9334272-B2 Derivatives of purinic and pyrimidinic antiviral agents and use thereof as potent anticancer agents RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-05-10 US disclosed
US-9334272-B2 Derivatives of purinic and pyrimidinic antiviral agents and use thereof as potent anticancer agents RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-05-10 US disclosed
US-9334272-B2 Derivatives of purinic and pyrimidinic antiviral agents and use thereof as potent anticancer agents RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2016-05-10 US disclosed
US-20140371245-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS BAR-ILAN UNIVERSITY (IL) 2014-12-18 US disclosed
US-20140371245-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS BAR-ILAN UNIVERSITY (IL) 2014-12-18 US disclosed
US-20140371245-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS BAR-ILAN UNIVERSITY (IL) 2014-12-18 US disclosed
US-20110028497-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-02-03 US disclosed
US-20110028497-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-02-03 US disclosed
US-20110028497-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2011-02-03 US disclosed
EP-2142548-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS Ramot at Tel-Aviv University Ltd. (IL) 2010-01-13 EP disclosed
WO-2008120205-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371245-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS NUDT1, NUDT14, TYMP MEN1 3799/4885KMT2A 2805/4885HBB 4709/4885
US-20110028497-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS NUDT1, NUDT14, TYMP MEN1 3799/4885KMT2A 2805/4885HBB 4709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.